5-(2-methylpropyl)-2-piperazin-1-yl-benzenesulfonic acid

Systemtic Name: 5-(2-methylpropyl)-2-piperazin-1-yl-benzenesulfonic acid Openeye Name: 5-isobutyl-2-piperazin-1-yl-benzenesulfonic acid CAS Name: 5-(2-methylpropyl)-2-(1-piperazinyl)benzenesulfonic acid IUPAC Name: 5-(2-methylpropyl)-2-piperazin-1-ylbenzenesulfonic acid Traditional Name: 5-isobutyl-2-piperazino-besylic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O

InChI

InChI=1S/C14H22N2O3S/c1-11(2)9-12-3-4-13(14(10-12)20(17,18)19)16-7-5-15-6-8-16/h3-4,10-11,15H,5-9H2,1-2H3,(H,17,18,19)